UCSF

ZINC13550498

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 2.66 -9.14 1 2 0 29 121.139 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 271 Acros Organics
Boiling_Point 271? Alfa-Aesar
Boiling_Point 271° Alfa-Aesar
Melting_Point 45-49? Alfa-Aesar
Melting_Point 45-49° Alfa-Aesar
Mp [°C] 47 - 49 Acros Organics
MP 48 TCI
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID WO1999053138A1 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )